HRID299827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID2761404

tert-Butyl methyl(pyrrolidin-3-yl)carbamate

C10H20N2O2

HCID4574913

未命名化合物

HCID67242223

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)C1CCN(c2ccnc(-c3ccsc3)c2)C1

HCID67387647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36f2f5c93ef24247b4d9b691436e6b83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:13]([P:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][c:24]1-[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)([CH3:31])([CH3:32])[CH3:33].[C:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39]([N:40]([CH:41]1[CH2:42][NH:43][CH2:44][CH2:45]1)[CH3:46])=[O:47].[CH3:48][C:49]([CH3:50])([O-:51])[CH3:52].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][s:10][cH:11][cH:12]2)[n:5][cH:6][cH:7]1.[Na+:53].[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[OH2:70].[Pd+2:61]>>[c:2]1([N:43]2[CH2:42][CH:41]([N:40]([C:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:47])[CH3:46])[CH2:45][CH2:44]2)[cH:3][c:4](-[c:8]2[cH:9][s:10][cH:11][cH:12]2)[n:5][cH:6][cH:7]1